4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O4S/c1-2-27(15-7-4-3-5-8-15)33(31,32)16-10-11-19(20(13-16)28(29)30)24-12-6-9-18-17(14-22)21(23)26-25-18/h3-5,7-8,10-11,13,24H,2,6,9,12H2,1H3,(H3,23,25,26)